[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [[(2R,3S,4S)-5-(7,8-Dimethyl-2,4-Dioxo-1,5-Dihydrobenzo[g]Pteridin-10-Yl)-2,3,4-Trihydroxypentoxy]-Hydroxyphosphoryl] Hydrogen Phosphate
[CAS# 1910-41-4]

Identification

• Name: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [[(2R,3S,4S)-5-(7,8-Dimethyl-2,4-Dioxo-1,5-Dihydrobenzo[g]Pteridin-10-Yl)-2,3,4-Trihydroxypentoxy]-Hydroxyphosphoryl] Hydrogen Phosphate
• Synonyms: [5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[5-(7,8-Dimethyl-2,4-Dioxo-1,5-Dihydrobenzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] Hydrogen Phosphate; [5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [[5-(7,8-Dimethyl-2,4-Dioxo-1,5-Dihydrobenzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxypentoxy]-Hydroxyphosphoryl] Hydrogen Phosphate; [5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[5-(2,4-Diketo-7,8-Dimethyl-1,5-Dihydrobenzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₂₇H₃₅N₉O₁₅P₂
• Molecular Weight: 787.57
• CAS Registry Number: 1910-41-4
• SMILES: C1=NC6=C([N]1C2OC(C(O)C2O)CO[P](O[P](OCC(O)C(O)C(O)CN3C5=C(NC4=CC(=C(C=C34)C)C)C(=O)NC(=O)N5)(=O)O)(=O)O)N=CN=C6N
• InChI: 1S/C27H35N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,32,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H2,33,34,42,43)
• InChIKey: YPZRHBJKEMOYQH-UHFFFAOYSA-N

Properties

• Density: 2.093g/cm³ (Cal.)